3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)
TL;DR: 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate) (CAS 77620-51-0) is a chemical compound with molecular formula C23H30O7 and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-hydroxy-1,5-dimethyl-11-(2-methylprop-2-enoyloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
Also Known As: 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate), [10-Hydroxy-1,5-dimethyl-11-(2-methylprop-2-enoyloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate
| Molecular Formula | C23H30O7 |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.19916 |
| Heavy Atoms | 30 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 77620-51-0 |
|---|---|
| SMILES | CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C(=C)C)C)COC(=O)C(=C)C |
| InChIKey | FRKZQPJMWAPFKK-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate) (CAS 77620-51-0), with molecular formula C23H30O7 and molecular weight 418.20 g/mol. IUPAC: [10-hydroxy-1,5-dimethyl-11-(2-methylprop-2-enoyloxy)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2-methylprop-2-enoate.
Chemical Property Profile of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)
Property Insights of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate). The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate). Following Lipinski's Rule of Five, 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)?
The CAS number of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate) is 77620-51-0.
What is the molecular formula of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)?
The molecular formula of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate) is C23H30O7.
What is the molecular weight of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)?
The molecular weight of 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate) is 418.20 g/mol.
Where can I buy 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)?
You can request a quote for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate)?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl bis(2-methylprop-2-enoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.